Vitas-M small molecule compound
ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363136
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H20BrNO5 MW 434.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrNO5/c1-3-25-20(24)17-10(2)22-13-5-4-6-14(23)19(13)18(17)11-7-15-16(8-12(11)21)27-9-26-15/h7-8,18,22H,3-6,9H2,1-2H3InChIKey
FNTUYMRWRDFUQG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CCC2)C
ethyl4(6bromo13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(6bromo13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC20H20BrNO5c132520(24)1710(2)221354614(23)19(13)18(17)1171516(812(11)21)2792615h781822H369H212H3
MFCD00619465
ZINC000000676070
ZINC000000676074
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